HMDB0001915 RDKit 3D Alendronic acid 27 26 0 0 0 0 0 0 0 0999 V2000 3.5587 0.2589 0.1429 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8779 -0.9924 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -0.7448 -0.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6688 0.0255 0.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7364 0.2339 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6364 0.9640 -1.1963 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5862 1.3394 1.1888 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.0893 0.6016 2.3786 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4283 2.5202 1.6032 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 2.0560 0.3384 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6339 -1.2848 -0.2495 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.9830 -2.4856 0.3945 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2213 -1.2110 0.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 -1.6531 -1.9086 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6225 0.7806 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 0.8042 0.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3904 -1.5083 -0.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9385 -1.6613 0.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9223 -1.7012 -0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4788 -0.1674 -1.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0955 1.0172 0.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5992 -0.5389 1.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5482 0.3761 -1.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8508 3.4245 1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4492 2.6163 -0.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6015 -2.1294 0.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3302 -0.9402 -2.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 2 0 7 9 1 0 7 10 1 0 5 11 1 0 11 12 2 0 11 13 1 0 11 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 6 23 1 0 9 24 1 0 10 25 1 0 13 26 1 0 14 27 1 0 M END